SCHEMBL2653293

SCHEMBL2653293

Cc1cc(SCC(C)(C)CCc2ccc(C(=O)NCCC(=O)O)s2)cc(C)c1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.45
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
ACKR3 P25106 1/20 0.36
MAPT P10636 1/20 0.36
GIPR P48546 1/20 0.36
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
ESRRG P62508 3/20 0.34
ESRRB O95718 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
GCG P01275 1/20 0.34
FOLR1 P15328 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ADCY6 O43306 1/20 0.34
ADCY3 O60266 1/20 0.34
ADCY9 O60503 1/20 0.34
ADCY5 O95622 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2654382 0.95 GCGR (0.44) GCGRKMT2AMCL1ACKR3MAPT
SCHEMBL2655204 0.93 GCGR (0.42) GCGRKMT2AMCL1MAPTGIPR
SCHEMBL2655317 0.92 GCGR (0.39) GCGRACKR3MAPTESRRGESRRB
SCHEMBL2653982 0.91 GCGR (0.44) GCGRKMT2AMCL1ACKR3GIPR
SCHEMBL2653160 0.90 GCGR (0.46) GCGRKMT2AMCL1ACKR3MAPT
SCHEMBL2653026 0.88 GCGR (0.44) GCGRKMT2AMCL1ACKR3MAPT
SCHEMBL13647296 0.88 GCGR (0.47) GCGRKMT2AMCL1ACKR3MAPT
SCHEMBL2653596 0.87 GCGR (0.44) GCGRKMT2AMCL1ACKR3MAPT
SCHEMBL2658618 0.86 GRIA4 (0.37) MAPT
SCHEMBL2652959 0.86 GCGR (0.43) GCGRKMT2AMCL1ACKR3MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856090-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-11-21 EP claimed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO claimed